1-(2-phenyl-2-phenylsulfanyl-ethanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-phenyl-2-phenylsulfanyl-ethanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(2-phenyl-2-phenylsulfanyl-acetyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-phenyl-2-(phenylthio)ethyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-phenyl-2-phenylsulfanylacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[2-phenyl-2-(phenylthio)acetyl]-N-(3-pyridylmethyl)isonipecotamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c30-25(28-19-20-8-7-15-27-18-20)22-13-16-29(17-14-22)26(31)24(21-9-3-1-4-10-21)32-23-11-5-2-6-12-23/h1-12,15,18,22,24H,13-14,16-17,19H2,(H,28,30)